0 B10R1.18 CC(=O)NC1CCCNC1 8592AB [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 O=C(O)CC1CCCNC1 V7579 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 O=C(O)CC1CCCNC1 W8079 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 O=C(O)CC1CCNCC1 N549 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 O=C(O)CC1CNCCN1 7202AA [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 O=C(O)CC1CNCCO1 1270AJ [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 O=C(O)CN1CCCCC1 0202AE [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 O=C(O)CN1CCOCC1 W9244 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 OB(O)CC1CCCCC1 X0676 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.8 BrCCC1CCOCC1 6395AB [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 BrCCN1CCCCC1 4892AC [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 C#CCC1CCCCC1 Y8015 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CNCC1CCCCC1 V3614 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1CCCCC1 V4720 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CNCC1CCCCO1 7421AH [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 CNCC1CCCCO1 8651AE [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 COCC1CCNCC1 V9116 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 COCC1CCNCC1 Y6213 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 N#CCC1CCCCC1 5033AH [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 N#CCC1CCCOC1 1827AF [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 N#CCC1CCOCC1 X2950 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 NCCC1CCCCC1 Z4868 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 NCCC1CCCCO1 1296AJ [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 NCCC1CCOCC1 V5672 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 NCCC1CCOCC1 Z2422 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 NNCC1CCCCC1 V5510 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 O=CCC1CCOCC1 W7684 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 OCCC1CCCNC1 V3701 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 OCCC1CCNCC1 5112AC [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 OCCC1CNCCN1 4749AE [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 9226AL [0,1,0,0,0,0|2,0,0]=3 32 B11R1.20 CC(=O)OC1CCC(=O)CC1 5616AB [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 CC1CCC(=CC(=O)O)CC1 2201AC [0,1,0,0,0,0|0,0,2]=3 34 B11R1.20 CN1CCC(CC(=O)O)CC1 3916AC [0,1,0,0,0,0|1,0,0]=2 35 B11R1.36 CC(C(=O)O)C1CCCCC1 6543AE [0,1,0,0,0,0|0,0,0]=1 36 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 8570AH [0,1,0,0,0,0|2,0,0]=3 37 B11R1.36 NC(C(=O)O)C1CCOCC1 V6443 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 6493AB [0,1,0,0,0,0|1,0,0]=2 39 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 V4048 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 W8573 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 Z2102 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.40 C=C(C#N)CN1CCCCC1 8947AD [0,1,0,0,0,0|3,0,0]=4 43 B11R1.40 COC(=O)CC1CCCCC1 7045AA [0,1,0,0,0,0|0,0,0]=1 44 B11R1.40 COC(=O)CC1CCCNC1 V4654 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.40 COC(=O)CC1CCNCC1 X4709 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.40 COC(=O)CC1CCOCC1 V3532 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.40 COC(=O)CN1CCOCC1 7861AE [0,1,0,0,0,0|2,0,0]=3 48 B11R1.40 NNC(=S)NC1CCCCC1 7190AD [0,1,0,0,0,0|2,1,0]=4 49 B11R1.40 NOC(=O)CC1CCCCC1 W7029 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.40 O=C(CCl)NC1CCCCC1 7988AD [0,1,0,0,0,0|2,0,0]=3 51 B11R1.40 O=C(CCl)OC1CCCCC1 Y9855 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.86 CC(=O)CN1CCCCC1C 8273AD [0,1,0,0,0,0|2,0,0]=3 53 B11R1.86 O=C(O)CC1NCCNC1=O 2743AE [0,1,0,0,0,0|2,0,1]=4 54 B11R1.928 NC1(CC(=O)O)CCCCC1 1934AE [0,1,0,0,0,0|0,0,0]=1 55 B11R1.928 NC1(CC(=O)O)CCCCC1 W5850 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.2 CCCCCCCB(O)O Y5025 [0,0,1,0,0,0|1,0,1]=3 57 B9R0.2 CCCCCCCC(C)C 5737AL [0,0,1,0,0,0|2,0,1]=4 58 B9R0.2 CCCCCCCC(N)=O 7980AF [0,0,1,0,0,0|1,0,0]=2 59 B9R0.2 CCCCCCC[13C](=O)O 8956AJ [0,0,1,0,0,0|0,0,0]=1 60 B9R0.2 CCCCCCOC(C)=O 7968AF [0,0,1,0,0,0|2,0,0]=3 61 B9R0.2 COCCOCCC(=O)O X3859 [0,0,1,0,0,0|2,0,0]=3 62 B9R0.2 NCCCCCCC(=O)O X4768 [0,0,1,0,0,0|1,0,0]=2 63 B9R0.4 CSCC[C@H](N)CC(=O)O Z5847 [0,0,1,0,0,0|2,0,0]=3 64 B11R2.678 O=C1CC2COCC(C1)N2 5920AJ [0,0,0,1,0,0|3,0,0]=4 65 B11R2.703 O=C1CC2(CCNCC2)N1 4495AA [0,0,0,1,0,0|2,0,0]=3 66 B11R2.703 OC1CC2(CCNCC2)C1 8727AB [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 CC(=O)C1=CCCCC1 7650AJ [0,0,0,0,1,0|1,0,2]=4 68 B9R1.6 CC(=O)C1CCNCC1 W9267 [0,0,0,0,1,0|2,0,0]=3 69 B9R1.6 CC(O)C1CCCCC1 3320AA [0,0,0,0,1,0|1,0,1]=3 70 B9R1.6 N=C(N)N1CCCCC1 3434AF [0,0,0,0,1,0|3,0,0]=4 71 B9R1.6 N=C(N)N1CCCCC1 9013AJ [0,0,0,0,1,0|3,0,0]=4 72 B9R1.6 N=C(N)N1CCCCC1 Y6828 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.6 NC(=O)C1CCCCN1 X0387 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.6 NC(=O)C1CCOCC1 W5605 [0,0,0,0,1,0|2,0,0]=3 75 B9R1.6 NC(=O)N1CCNCC1 4107AE [0,0,0,0,1,0|3,0,0]=4 76 B9R1.6 NC(=O)N1CCOCC1 0972AB [0,0,0,0,1,0|3,0,0]=4 77 B9R1.6 O=C(O)C1=CCCCO1 6288AJ [0,0,0,0,1,0|1,0,2]=4 78 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,0,0,0,1,0|1,0,2]=4 79 B9R1.6 O=C(O)C1=COCCC1 2840AE [0,0,0,0,1,0|1,0,2]=4 80 B9R1.6 O=C(O)C1CCCCO1 Y9295 [0,0,0,0,1,0|1,0,0]=2 81 B9R1.6 O=C(O)C1CCCOC1 W8958 [0,0,0,0,1,0|1,0,0]=2 82 B9R1.6 O=C(O)C1CCNCC1 W7261 [0,0,0,0,1,0|1,0,0]=2 83 B9R1.6 O=C(O)C1CCSCC1 W9239 [0,0,0,0,1,0|1,0,0]=2 84 B9R1.6 O=C(O)C1CNCCO1 W5246 [0,0,0,0,1,0|2,0,0]=3 85 B9R1.6 O=C(O)C1COCCN1 Z5972 [0,0,0,0,1,0|2,0,0]=3 86 B9R1.6 O=C(O)C1COCCO1 4768AC [0,0,0,0,1,0|2,0,0]=3 87 B9R1.6 O=C(O)C1CSCCN1 W4390 [0,0,0,0,1,0|2,0,0]=3 88 B9R1.6 O=C(O)C1CSCCN1 Z5417 [0,0,0,0,1,0|2,0,0]=3 89 B9R1.6 O=C(O)N1CCNCC1 E072 [0,0,0,0,1,0|2,0,0]=3 90 B9R1.6 O=C(O)[C@@H]1CCCCN1 W4435 [0,0,0,0,1,0|1,0,0]=2 91 B9R1.6 O=C(O)[C@@H]1CCCNC1 W9119 [0,0,0,0,1,0|1,0,0]=2 92 B9R1.6 O=C(O)[C@@H]1COCCN1 Z3946 [0,0,0,0,1,0|2,0,0]=3 93 B9R1.6 O=C(O)[C@H]1CC=CCC1 O030 [0,0,0,0,1,0|0,0,2]=3 94 B9R1.6 O=C(O)[C@H]1CCCNC1 3193AC [0,0,0,0,1,0|1,0,0]=2 95 B9R1.6 O=C(O)[C@H]1CCCNC1 C833 [0,0,0,0,1,0|1,0,0]=2 96 B9R1.6 O=C(O)[C@H]1COCCN1 X8815 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [0,0,0,0,1,0|3,0,0]=4 98 B9R1.13 O=C(O)CC1CCCC1 2161AA [0,0,0,0,1,0|0,0,0]=1 99 B9R1.13 O=C(O)CC1CCCN1 X4013 [0,0,0,0,1,0|1,0,0]=2 100 B9R1.13 O=C(O)CC1CCOC1 W3025 [0,0,0,0,1,0|1,0,0]=2 101 B9R1.13 O=C(O)CN1CCCC1 0183AC [0,0,0,0,1,0|1,0,0]=2 102 B9R1.13 O=C(O)CN1CCCC1 Y8903 [0,0,0,0,1,0|1,0,0]=2 103 B9R1.13 O=C(O)C[C@@H]1CCCN1 M616 [0,0,0,0,1,0|1,0,0]=2 104 B9R1.13 O=C(O)C[C@H]1CCCN1 6072AB [0,0,0,0,1,0|1,0,0]=2 105 B9R1.13 O=C(O)C[C@H]1CCCN1 9054AH [0,0,0,0,1,0|1,0,0]=2 106 B11R1.91 CC(=O)NCC1CCCNC1 2720AF [0,0,0,0,0,1|2,0,0]=3 107 B11R1.91 CC(=O)OCC1CCCCC1 7517AL [0,0,0,0,0,1|1,0,0]=2 108 B11R1.91 O=C(O)CCC1CCNCC1 7073AB [0,0,0,0,0,1|1,0,0]=2 109 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,0,0,0,0,1|1,0,0]=2 110 B11R1.91 O=C(O)CCN1CCNCC1 2553AB [0,0,0,0,0,1|2,0,0]=3 111 B11R1.91 O=C(O)CCN1CCOCC1 X3841 [0,0,0,0,0,1|2,0,0]=3 112 B11R1.91 O=C(O)CCN1CCOCC1 Z6260 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.742 O=C(O)CN1CCCCCC1 4967AE [0,0,0,0,0,1|1,0,0]=2 114 B8R0.4 CCCCCCCCF V6056 [1,0,1,0,0,0|1,0,1]=4 115 B8R0.4 CCCCCCON=O 8053AL [1,0,1,0,0,0|2,0,0]=4 116 B8R0.4 CCCCCOCCO 6511AH [1,0,1,0,0,0|1,0,1]=4 117 B8R0.7 CCCCCCC(=O)[O-] 7832AL [1,0,1,0,0,0|0,0,1]=3 118 B8R0.7 CCCCCCC(C)O Z6063 [1,0,1,0,0,0|1,0,1]=4 119 B8R0.7 NC(=O)CCCCCBr 8542AB [1,0,1,0,0,0|2,0,0]=4 120 B8R0.7 NCCCCCC(=O)O 5982AB [1,0,1,0,0,0|1,0,0]=3 121 B8R0.7 NCCCNCC(=O)O 8332AL [1,0,1,0,0,0|2,0,0]=4 122 B8R0.7 O=C(Cl)CCCCCBr 5957AH [1,0,1,0,0,0|2,0,0]=4 123 B8R0.16 CCN(CC)CC(=O)O 8208AD [1,0,1,0,0,0|1,0,0]=3 124 B8R1.2 BrCC1CCNCC1 Z2771 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 CCC1CCCCC1 8567AA [2,0,0,0,0,0|0,0,1]=3 126 B8R1.2 CCC1CCNCC1 0192AE [2,0,0,0,0,0|1,0,1]=4 127 B8R1.2 FCC1CCCNC1 2978AD [2,0,0,0,0,0|2,0,0]=4 128 B8R1.2 ICC1CCCCC1 4784AJ [2,0,0,0,0,0|1,0,0]=3 129 B8R1.2 ICC1CCOCC1 Y6802 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.2 NCC1CCCCO1 V7179 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 NCC1CCCNC1 U802 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 NNC1CCCCC1 3658AF [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 O=CC1CCCOC1 2092AC [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 O=CC1CCOCC1 X4660 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 OCC1CCNCC1 5626AH [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 OCC1CCSCC1 Y6767 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 OCC1CNCCO1 W3143 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 OCC1CNCCO1 X8636 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 OCC1COCCN1 1479AA [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 OCC1COCCN1 6468AC [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 OC[C@@H]1CNCCO1 X9792 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 ONC1CCCCC1 1210AB [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [2,0,0,0,0,0|1,0,1]=4 144 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [0,1,1,0,0,0|0,0,1]=3 145 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [0,1,1,0,0,0|1,0,0]=3 146 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [0,1,1,0,0,0|0,0,1]=3 147 B10R0.4 CCCCCCCCC(C)O 5773AF [0,1,1,0,0,0|1,0,1]=4 148 B10R0.4 CCCCCCCOC(=O)Cl 3970AB [0,1,1,0,0,0|1,0,0]=3 149 B10R0.4 CCCCCC\C=C\C(C)=O 2414AL [0,1,1,0,0,0|1,0,1]=4 150 B10R0.4 O=C(O)COCCOCCO X3816 [0,1,1,0,0,0|2,0,0]=4 151 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 9854AE [0,1,1,0,0,0|2,0,0]=4 152 B10R0.22 CCCCCCCS(=O)(=O)[O-] 0617AB [0,1,1,0,0,0|1,0,1]=4 153 B10R0.74 C=CC(O)CCCCCCC U552 [0,1,1,0,0,0|1,0,1]=4 154 B10R0.74 CCCCCCCC(=O)N[O-] 7323AL [0,1,1,0,0,0|0,0,1]=3 155 B10R0.74 CCCCCCCC(O)CC 6031AL [0,1,1,0,0,0|1,0,1]=4 156 B10R0.74 CCCCCCCC(O)CO 4474AL [0,1,1,0,0,0|0,0,2]=4 157 B10R0.74 COC(=O)CCCCCCBr W6840 [0,1,1,0,0,0|1,0,0]=3 158 B10R0.74 COC(=O)CCCCCCN W3908 [0,1,1,0,0,0|1,0,0]=3 159 B10R0.75 CCCCCCC(O)C(=O)O 7972AF [0,1,1,0,0,0|0,0,0]=2 160 B10R0.75 CCCCCC[C@@H](N)C(=O)O 1467AA [0,1,1,0,0,0|0,0,0]=2 161 B10R0.75 CNCCCC[C@H](N)C(=O)O Z5971 [0,1,1,0,0,0|1,0,0]=3 162 B10R0.97 CC(=O)CCCCCC(=O)O X3704 [0,1,1,0,0,0|0,0,1]=3 163 B10R0.44 COC(=O)CC(C)CC(=O)O Z4530 [0,1,1,0,0,0|1,0,1]=4 164 B10R0.79 CCOC(CC(=O)O)OCC 9299AB [0,1,1,0,0,0|1,0,0]=3 165 B10R1.1 CC1CCN(CCO)CC1 5093AB [1,1,0,0,0,0|1,0,1]=4 166 B10R1.1 CCCC1CCC(O)CC1 7346AB [1,1,0,0,0,0|1,0,1]=4 167 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 9234AL [1,1,0,0,0,0|1,0,1]=4 168 B10R1.1 NC1CCC(CCO)CC1 5011AL [1,1,0,0,0,0|0,0,1]=3 169 B10R1.4 C=CCC1CCCCC1=O 7860AJ [1,1,0,0,0,0|1,0,1]=4 170 B10R1.4 CCCC1CCCCC1O 5770AL [1,1,0,0,0,0|1,0,1]=4 171 B10R1.15 N[C@H](CO)C1CCCCC1 2997AC [1,1,0,0,0,0|0,0,1]=3 172 B10R1.15 OCC(O)C1CCCCN1 7450AB [1,1,0,0,0,0|1,0,1]=4 173 B10R1.17 NCCCC1CCCCC1 5332AH [1,1,0,0,0,0|1,0,1]=4 174 B10R1.17 NCCSC1CCCCC1 7883AE [1,1,0,0,0,0|1,0,1]=4 175 B10R1.17 OCCCC1CCNCC1 0904AC [1,1,0,0,0,0|1,0,1]=4 176 B10R1.17 OCCCC1CCNCC1 7796AA [1,1,0,0,0,0|1,0,1]=4 177 B10R1.13 CC(=O)N1CCC(N)CC1 0887AB [0,1,0,0,1,0|2,0,0]=4 178 B10R1.13 CC1=CCC(C(=O)O)CC1 6606AL [0,1,0,0,1,0|0,0,2]=4 179 B10R1.13 NC1CCC(C(=O)O)CC1 0769AF [0,1,0,0,1,0|0,0,0]=2 180 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X0367 [0,1,0,0,1,0|0,0,0]=2 181 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 X2034 [0,1,0,0,1,0|0,0,0]=2 182 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 3218AL [0,1,0,0,1,0|0,0,0]=2 183 B10R1.13 O=C1CCC(C(=O)O)CN1 1361AB [0,1,0,0,1,0|1,0,1]=4 184 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 1036AL [0,1,0,0,1,0|0,0,0]=2 185 B10R1.113 CC(=O)N1CCCC(C)C1 1394AQ [0,1,0,0,1,0|2,0,0]=4 186 B10R1.113 CC1CCCC(C(=O)O)N1 W9881 [0,1,0,0,1,0|1,0,0]=3 187 B10R1.113 CN1CCOC(C(=O)O)C1 0383AF [0,1,0,0,1,0|2,0,0]=4 188 B10R1.113 NC(=O)C1CCCC(N)C1 6418AC [0,1,0,0,1,0|1,0,0]=3 189 B10R1.113 NC1CCCC(C(=O)O)C1 5989AL [0,1,0,0,1,0|0,0,0]=2 190 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 4020AL [0,1,0,0,1,0|0,0,0]=2 191 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 8462AA [0,1,0,0,1,0|0,0,0]=2 192 B10R1.113 O=C(O)C1CCCC(O)C1 6064AL [0,1,0,0,1,0|0,0,0]=2 193 B10R1.113 O=C(O)C1CNCC(O)C1 2797AA [0,1,0,0,1,0|1,0,0]=3 194 B10R1.113 O=C1CCCC(C(=O)O)C1 8202AA [0,1,0,0,1,0|0,0,1]=3 195 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 W5621 [0,1,0,0,1,0|1,0,1]=4 196 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 1176AC [0,1,0,0,1,0|1,0,1]=4 197 B10R1.363 CC1(C(=O)O)CCNCC1 6211AJ [0,1,0,0,1,0|1,0,0]=3 198 B10R1.363 CC1(C(=O)O)CCNCC1 8253AA [0,1,0,0,1,0|1,0,0]=3 199 B10R1.363 CC1(C(=O)O)CCOCC1 1540AB [0,1,0,0,1,0|1,0,0]=3 200 B10R1.363 NC1(C(=O)O)CCOCC1 5095AB [0,1,0,0,1,0|1,0,0]=3 201 B10R1.363 O=C(O)C1(O)CCCCC1 2168AA [0,1,0,0,1,0|0,0,0]=2 202 B10R1.23 CC(C(=O)O)N1CCCC1 2951AD [0,1,0,0,1,0|1,0,0]=3 203 B10R1.27 NCC(=O)NC1CCCC1 0665AD [0,1,0,0,1,0|2,0,0]=4 204 B10R1.54 O=C(O)CN1CCC(O)C1 Z4509 [0,1,0,0,1,0|1,0,0]=3 205 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 3939AB [0,1,0,0,1,0|1,0,0]=3 206 B12R1.21 CN1CCC(NCC(=O)O)CC1 0822AF [0,1,0,0,0,1|1,0,0]=3 207 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 X4022 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5330AH [0,1,0,0,0,1|0,0,0]=2 209 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O 5329AH [0,1,0,0,0,1|0,0,0]=2 210 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O 7619AA [0,1,0,0,0,1|0,0,0]=2 211 B12R1.107 NC(CC(=O)O)C1CCCCC1 5467AA [0,1,0,0,0,1|0,0,0]=2 212 B12R1.226 CC1CCCN(CCC(=O)O)C1 0878AF [0,1,0,0,0,1|1,0,0]=3 213 B12R1.49 COC(=O)CC1CCN(C)CC1 Z3349 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.1819 O=C(O)CC1CCC(F)(F)CC1 5373AC [0,2,0,0,0,0|0,0,0]=2 215 B12R1.1819 O=C(O)CN1CCS(=O)(=O)CC1 4883AD [0,2,0,0,0,0|2,0,0]=4 216 B12R1.34 CN(C(=O)CCl)C1CCCCC1 8513AD [0,2,0,0,0,0|2,0,0]=4 217 B12R1.34 COC(=O)C(N)C1CCOCC1 7374AH [0,2,0,0,0,0|1,0,0]=3 218 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 7028AA [0,2,0,0,0,0|0,0,0]=2 219 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 V5400 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.225 CC1CCCN(C(C)C(=O)O)C1 3059AF [0,2,0,0,0,0|1,0,0]=3 221 B12R1.32 CCOC(=O)C=C1CCCCC1 7799AA [0,2,0,0,0,0|0,0,2]=4 222 B12R1.32 CCOC(=O)CC1CCCNC1 4120AJ [0,2,0,0,0,0|1,0,0]=3 223 B12R1.32 CCOC(=O)CC1CCNCC1 W3689 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.32 CCOC(=O)CC1CCNCC1 W7206 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.32 CCOC(=O)CC1CCOCC1 X8652 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.32 CCOC(=O)CN1CCOCC1 W5418 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.32 CCOC(=O)NC1CCNCC1 7406AE [0,2,0,0,0,0|2,0,0]=4 228 B12R1.3524 COC(=O)CC1(N)CCCCC1 7371AH [0,2,0,0,0,0|0,0,0]=2 229 B12R1.3524 COC(=O)CC1(N)CCCCC1 9349AA [0,2,0,0,0,0|0,0,0]=2 230 B10R1.39 CCN1CCC[C@H]1C(N)=O 4174AL [0,0,1,1,0,0|2,0,0]=4 231 B10R1.66 O=C(O)CCC1OCCO1 Y9117 [0,0,1,1,0,0|2,0,0]=4 232 B10R1.66 O=C(O)CCN1CCCC1 1858AC [0,0,1,1,0,0|1,0,0]=3 233 B10R1.66 O=C(O)COC1CCCC1 5276AJ [0,0,1,1,0,0|1,0,0]=3 234 B10R1.78 O=C1CCCCCCCC1 3914AB [0,0,1,1,0,0|1,0,0]=3 235 B10R1.348 O=C(O)C1CCCCCN1 7360AB [0,0,1,1,0,0|1,0,0]=3 236 B10R2.7 [C@H]12CCCC[C@H]1CNC2 Z5468 [1,0,0,1,0,0|2,0,0]=4 237 B10R2.62 C12CCC(CC1)C(=O)O2 5773AL [1,0,0,1,0,0|1,0,0]=3 238 B10R2.62 O=C1NC2CCC1CC2 3767AB [1,0,0,1,0,0|1,0,0]=3 239 B10R2.351 O=C(O)C1C2COCC21 W7915 [0,0,0,1,1,0|1,0,0]=3 240 B10R2.2 O=C1C[C@@H]2C=CC[C@@H]2O1 5961AB [0,0,0,1,1,0|0,0,2]=4 241 B12R2.2918 O=C1CC2(CCNCC2)CN1 1423AJ [0,0,0,1,0,1|2,0,0]=4 242 B12R2.2918 O=C1CC2(CCOCC2)CN1 0082AB [0,0,0,1,0,1|2,0,0]=4 243 B12R2.2918 O=C1COC2(CCCCC2)O1 5153AL [0,0,0,1,0,1|0,0,0]=2 244 B12R2.1154 [C@H]12CCC[C@H](CC(=O)C1)N2C 8056AB [0,1,0,1,0,0|2,0,0]=4 245 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 3164AL [0,1,0,1,0,0|1,0,1]=4 246 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,0,1,0,1,0|1,0,0]=3 247 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,0,1,0,1,0|1,0,0]=3 248 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,0,1,0,1,0|2,0,0]=4 249 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,0,1,0,1,0|0,0,2]=4 250 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,0,1,0,1,0|2,0,0]=4 251 B8R0.15 CCC[C@H](NC)C(=O)O 6616AD [0,0,1,0,1,0|1,0,0]=3 252 B8R1.8 N#CCC1CCCC1 5870AE [1,0,0,0,1,0|1,0,1]=4 253 B8R1.8 NCCC1CCCC1 W7101 [1,0,0,0,1,0|1,0,1]=4 254 B8R1.8 NCCC1CCCC1 Z5033 [1,0,0,0,1,0|1,0,1]=4 255 B8R1.8 O=C=NC1CCCC1 4108AE [1,0,0,0,1,0|1,0,1]=4 256 B8R1.7 N=C(N)C1CCCC1 0061AF [0,0,0,0,2,0|2,0,0]=4 257 B8R1.7 NC(=O)C1CCCO1 5362AC [0,0,0,0,2,0|2,0,0]=4 258 B8R1.7 NC(=O)C1CCNC1 9876AB [0,0,0,0,2,0|2,0,0]=4 259 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,0,0,0,2,0|2,0,0]=4 260 B8R1.7 O=C(O)C1CCNC1 W9737 [0,0,0,0,2,0|1,0,0]=3 261 B8R1.7 O=C(O)C1CSSC1 X3729 [0,0,0,0,2,0|2,0,0]=4 262 B8R1.7 O=C(O)C1NCCS1 W7647 [0,0,0,0,2,0|2,0,0]=4 263 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [0,0,0,0,2,0|1,0,0]=3 264 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [0,0,0,0,2,0|1,0,0]=3 265 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [0,0,0,0,2,0|1,0,0]=3 266 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [0,0,0,0,2,0|2,0,0]=4 267 B8R1.34 O=C(O)CC1CCC1 W7672 [0,0,0,0,2,0|0,0,0]=2 268 B8R1.34 O=C(O)CC1COC1 3631AD [0,0,0,0,2,0|1,0,0]=3 269 B10R1.85 NCCC1CCCCCC1 6136AB [1,0,0,0,0,1|1,0,1]=4 270 B12R1.252 O=C(O)CCCC1CCNCC1 W8719 [0,0,0,0,0,2|1,0,0]=3